2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol

C12H23N5O — CID 102636709

IUPAC2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol
SMILESCCCn1nnnc1CN(C)C1CCCCC1O
InChIInChI=1S/C12H23N5O/c1-3-8-17-12(13-14-15-17)9-16(2)10-6-4-5-7-11(10)18/h10-11,18H,3-9H2,1-2H3
InChIKeySIPQSLOJUHTMJW-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds5

About 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol

2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 102636709) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol
PubChem CID102636709
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol
SMILESCCCn1nnnc1CN(C)C1CCCCC1O
InChIInChI=1S/C12H23N5O/c1-3-8-17-12(13-14-15-17)9-16(2)10-6-4-5-7-11(10)18/h10-11,18H,3-9H2,1-2H3
InChIKeySIPQSLOJUHTMJW-UHFFFAOYSA-N
XLogP0.82
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol (CID 102636709) is 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol is CCCn1nnnc1CN(C)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is SIPQSLOJUHTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-8-17-12(13-14-15-17)9-16(2)10-6-4-5-7-11(10)18/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol?
2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102636709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).